0 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 8.52463 7.29868 5.80953 10.8237 4.99125 6.46192 6.23824 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 7.95042 5.11636 8.52463 8.60554 5.80953 10.8237 11.4659 6.46192 6.23824 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.54419 5.68215 10.1698 5.11617 8.4051 6.61696 9.40259 13.2525 5.97274 6.23824 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 11.6378 9.27838 7.58875 13.6124 9.902 4.81856 8.66571 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 9.78528 9.55118 9.78221 11.6378 16.0048 7.58875 13.6124 13.8478 4.81856 8.66571 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.87449 9.90751 9.72773 6.12107 12.0685 7.81446 4.5985 5.1283 10.3433 8.95014 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 8.87449 9.21662 9.39125 6.12107 12.0685 6.55173 4.5985 5.1283 8.59989 8.95014 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 8.87449 9.21662 9.39125 5.42531 10.9242 6.59691 4.5985 5.1283 8.59989 6.84692 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 9.60661 8.91882 4.03277 6.71012 9.1361 6.55173 12.5743 8.07089 8.59989 8.95014 numMergedOcc 0
9 mol 100 unq 4 iso 0 dist 9.60661 8.91882 4.03277 5.80144 7.01812 6.59691 12.5743 8.07089 8.59989 6.84692 numMergedOcc 0
10 mol 100 unq 5 iso 0 dist 6.65086 8.91882 6.23008 6.71012 9.5074 6.55173 12.5743 12.8256 8.59989 8.95014 numMergedOcc 0
11 mol 100 unq 6 iso 0 dist 6.65086 8.91882 6.23008 5.80144 8.30845 6.59691 12.5743 12.8256 8.59989 6.84692 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.29155 8.77023 13.0405 4.54648 6.16242 8.83732 4.51266 5.47259 13.2024 6.49688 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 6.80239 8.77023 13.7612 4.54648 5.87634 8.83732 4.51266 4.70102 13.2024 6.49688 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.00618 8.77023 15.0115 4.54648 10.9061 8.83732 4.51266 6.56917 13.2024 6.49688 numMergedOcc 0
15 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 4.34698 6.35982 6.47164 10.4619 9.77705 5.40635 8.20406 numMergedOcc 0
16 mol 170 unq 1 iso 0 dist 9.76807 9.51256 4.78249 4.34698 6.35982 6.47164 11.5324 5.36359 6.09207 7.19802 numMergedOcc 0
17 mol 170 unq 2 iso 0 dist 9.76807 9.51256 4.78249 4.34698 6.35982 6.47164 11.7022 8.84552 9.84933 7.75807 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.1374 9.76212 12.9532 4.43096 12.4878 7.35884 12.0793 16.5203 4.46602 8.91675 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.03334 9.76212 6.50233 4.43096 6.46704 7.35884 12.0793 5.87996 4.46602 8.91675 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 7.81386 6.64173 6.8757 5.63555 10.4943 8.12266 8.47008 7.45927 7.11838 6.2176 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 7.81386 9.55105 5.83796 5.63555 10.4943 9.43306 8.47008 7.45927 5.42919 6.2176 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 7.63312 6.64173 10.6474 5.63555 5.9176 8.12266 8.47008 5.83639 7.11838 6.2176 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 7.63312 9.55105 5.12833 5.63555 5.9176 9.43306 8.47008 5.83639 5.42919 6.2176 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 10.0059 17.6227 7.77911 6.35438 8.83842 4.76962 9.38888 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 6.7625 7.81215 5.75498 10.0059 12.6238 7.77911 6.35438 5.43327 4.76962 9.38888 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 11.169 11.308 8.95511 5.45139 4.86449 7.77371 6.85567 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 7.19638 7.15764 7.40852 6.35641 11.0831 8.09509 10.8046 10.4807 4.44255 9.13983 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 9.01049 9.59325 12.2939 4.60101 11.6152 6.35532 9.82018 11.528 4.04219 6.83684 numMergedOcc 0
